3-Methyl-6-tert-butylphenol

C₁₁H₁₆OCAS 88-60-8164.25 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₁H₁₆O
Molar mass: 164.25 g/mol
Exact mass: 164.1201 Da
Density: 0.922 g/mL (at 80 °C)
Melting point: 46 °C
Boiling point: 224 °C
Flash point: 114 °C
logP: 3.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage76.2% of notifiers
H315 Causes skin irritation23.8% of notifiers
H318 Causes serious eye damage42.1% of notifiers
H319 Causes serious eye irritation23.8% of notifiers
H335 May cause respiratory irritation23.8% of notifiers
H411 Toxic to aquatic life with long lasting effects21.3% of notifiers

Aggregated from 164 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

88-60-8

SMILES

Cc1ccc(C(C)(C)C)c(O)c1

InChIKey

XOUQAVYLRNOXDO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

Phenol, 2-(1,1-dimethylethyl)-5-methyl-
m-Cresol, 6-tert-butyl-
2-(1,1-Dimethylethyl)-5-methylphenol
2-tert-Butyl-5-methylphenol
6-tert-Butyl-m-cresol
6-tert-Butyl-3-methylphenol
5-Methyl-2-tert-butylphenol
NSC 48467
6-tert-Butyl-3-cresol

Work with 3-Methyl-6-tert-butylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Di-tert-butylhydroquinone88-58-458 % similar 4-Methylcatechol452-86-856 % similar 2-tert-Butylphenol88-18-652 % similar 2,5-Dimethylphenol95-87-452 % similar Butylated hydroxytoluene128-37-050 % similar 2-Amino-5-methylphenol2835-98-548 % similar 2-Chloro-5-methylphenol615-74-748 % similar 2-Fluoro-5-methylphenol63762-79-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 1-Adamantanecarboxaldehyde2094-74-8 2-tert-Butyl-6-methylphenol2219-82-1 2-tert-Butyl-4-methylphenol2409-55-4 Jasmone488-10-8 1-Ethyl-4-propoxybenzene500862-87-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook